PruneBuriedUnsatsOperation.cc File Reference

Eliminate rotamers that contain a sidechain buried unsat and make no other sidechain h-bonds @detail This is intended to speed up packing by eliminating useless polar rotamers. This can also help to reduce the number of buried unsats in designs because Rosetta can't pack them. More...

#include <protocols/task_operations/PruneBuriedUnsatsOperation.hh>
#include <protocols/task_operations/PruneBuriedUnsatsOperationCreator.hh>
#include <core/chemical/AtomTypeSet.fwd.hh>
#include <core/conformation/Residue.hh>
#include <core/id/AtomID_Map.hh>
#include <core/pose/Pose.hh>
#include <core/pack/hbonds/HBondGraph_util.hh>
#include <core/pack/rotamer_set/RotamerSet.hh>
#include <core/pack/rotamer_set/RotamerSetOperation.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/operation/TaskOperation.hh>
#include <core/scoring/atomic_depth/AtomicDepth.hh>
#include <core/scoring/hbonds/graph/HBondGraph.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/ScoreFunction.hh>
#include <utility/tag/Tag.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <core/pack/task/operation/task_op_schemas.hh>
#include <core/pack/rotamer_set/RotamerSets.hh>
#include <core/pose/symmetry/util.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::task_operations

Functions
static basic::Tracer	TR ("protocols.task_operations.PruneBuriedUnsatsOperation")

Detailed Description

Eliminate rotamers that contain a sidechain buried unsat and make no other sidechain h-bonds @detail This is intended to speed up packing by eliminating useless polar rotamers. This can also help to reduce the number of buried unsats in designs because Rosetta can't pack them.

Note

This task operation does not work with symmetry at the current time.

Author

Longxing Cao – original idea

Brian Coventry ( bcov@.nosp@m.uw.e.nosp@m.du ) – code implementation

Function Documentation

TR()

static basic::Tracer TR ( "protocols.task_operations.PruneBuriedUnsatsOperation"  )

static